3-[4-ethyl-5-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol

Systemtic Name: 3-[4-ethyl-5-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Openeye Name: 3-[4-ethyl-5-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol CAS Name: 3-[4-ethyl-5-[(5-methyl-2-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-1-propanol IUPAC Name: 3-[4-ethyl-5-[(5-methyl-2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Traditional Name: 3-[4-ethyl-5-[(5-methyl-2-nitro-benzyl)thio]-1,2,4-triazol-3-yl]propan-1-ol Formula: C15H20N4O3S MolecularWeight: 336.4093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)[N+](=O)[O-])CCCO

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)[N+](=O)[O-])CCCO

InChI

InChI=1S/C15H20N4O3S/c1-3-18-14(5-4-8-20)16-17-15(18)23-10-12-9-11(2)6-7-13(12)19(21)22/h6-7,9,20H,3-5,8,10H2,1-2H3